CID 24842047

97167-60-7

Structural Information

Molecular Formula
C20H26ClN3O2
SMILES
CC(C(=O)N1CCCC1)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H26ClN3O2/c1-16(20(26)24-9-2-3-10-24)22-11-13-23(14-12-22)19(25)8-7-17-5-4-6-18(21)15-17/h4-8,15-16H,2-3,9-14H2,1H3/b8-7+
InChIKey
NELFLVULPXMVNC-BQYQJAHWSA-N
Compound name
2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.17136 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17864 192.1
[M+Na]+ 398.16058 194.6
[M-H]- 374.16408 195.8
[M+NH4]+ 393.20518 201.5
[M+K]+ 414.13452 188.8
[M+H-H2O]+ 358.16862 181.3
[M+HCOO]- 420.16956 198.7
[M+CH3COO]- 434.18521 213.7
[M+Na-2H]- 396.14603 186.2
[M]+ 375.17081 187.4
[M]- 375.17191 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.